USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot -150:sc= 0.437 USER MOD Set 1.2: A 73 GLN :FLIP amide:sc= -0.632 F(o=-1.1,f=-0.21) USER MOD Set 1.3: A 74 ASN : amide:sc= -0.0179 K(o=-0.21,f=-1.8!) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 1.94 (180deg=1.81) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -167:sc= -0.0535 (180deg=-0.387) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.904 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.63) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0839 X(o=-0.084,f=-0.35) USER MOD Single : A 67 SER OG : rot -79:sc= 1.26 USER MOD Single : A 78 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 82 ASN : amide:sc= 0.745 K(o=0.74,f=0) USER MOD Single : A 83 THR OG1 : rot 39:sc= -0.0313 USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= 1.49 (180deg=1.18) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 8.175 -11.113 -2.733 1.00 0.00 N ATOM 45 CA GLU A 4 7.269 -11.554 -3.764 1.00 0.00 C ATOM 46 C GLU A 4 6.161 -10.543 -3.883 1.00 0.00 C ATOM 47 O GLU A 4 5.355 -10.414 -2.976 1.00 0.00 O ATOM 48 CB GLU A 4 6.699 -12.925 -3.420 1.00 0.00 C ATOM 49 CG GLU A 4 5.773 -13.482 -4.479 1.00 0.00 C ATOM 50 CD GLU A 4 5.206 -14.813 -4.101 1.00 0.00 C ATOM 51 OE1 GLU A 4 5.944 -15.820 -4.115 1.00 0.00 O ATOM 52 OE2 GLU A 4 4.007 -14.887 -3.779 1.00 0.00 O ATOM 0 HA GLU A 4 7.799 -11.640 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.522 -13.623 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.158 -12.857 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.958 -12.779 -4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.316 -13.576 -5.419 1.00 0.00 H new ATOM 59 N LEU A 5 6.152 -9.800 -4.961 1.00 0.00 N ATOM 60 CA LEU A 5 5.162 -8.764 -5.164 1.00 0.00 C ATOM 61 C LEU A 5 3.921 -9.338 -5.780 1.00 0.00 C ATOM 62 O LEU A 5 3.970 -9.951 -6.857 1.00 0.00 O ATOM 63 CB LEU A 5 5.688 -7.628 -6.057 1.00 0.00 C ATOM 64 CG LEU A 5 6.956 -6.896 -5.603 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.893 -6.520 -4.144 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.214 -7.671 -5.939 1.00 0.00 C ATOM 0 H LEU A 5 6.826 -9.893 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 5 4.933 -8.349 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.875 -8.040 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.894 -6.889 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 5 7.005 -5.966 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.810 -6.003 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.040 -5.864 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.784 -7.421 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.087 -7.114 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.187 -8.641 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.275 -7.816 -7.018 1.00 0.00 H new ATOM 78 N PHE A 6 2.823 -9.145 -5.130 1.00 0.00 N ATOM 79 CA PHE A 6 1.573 -9.643 -5.600 1.00 0.00 C ATOM 80 C PHE A 6 0.488 -8.591 -5.527 1.00 0.00 C ATOM 81 O PHE A 6 0.473 -7.757 -4.629 1.00 0.00 O ATOM 82 CB PHE A 6 1.155 -10.927 -4.868 1.00 0.00 C ATOM 83 CG PHE A 6 1.296 -10.903 -3.385 1.00 0.00 C ATOM 84 CD1 PHE A 6 0.334 -10.302 -2.589 1.00 0.00 C ATOM 85 CD2 PHE A 6 2.388 -11.489 -2.790 1.00 0.00 C ATOM 86 CE1 PHE A 6 0.466 -10.284 -1.213 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.527 -11.480 -1.431 1.00 0.00 C ATOM 88 CZ PHE A 6 1.570 -10.876 -0.634 1.00 0.00 C ATOM 0 H PHE A 6 2.767 -8.633 -4.250 1.00 0.00 H new ATOM 0 HA PHE A 6 1.711 -9.900 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.114 -11.139 -5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.749 -11.754 -5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.529 -9.843 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.142 -11.961 -3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.286 -9.812 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.388 -11.947 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.687 -10.868 0.440 1.00 0.00 H new ATOM 98 N PRO A 7 -0.399 -8.587 -6.492 1.00 0.00 N ATOM 99 CA PRO A 7 -1.502 -7.666 -6.513 1.00 0.00 C ATOM 100 C PRO A 7 -2.639 -8.108 -5.619 1.00 0.00 C ATOM 101 O PRO A 7 -3.122 -9.250 -5.686 1.00 0.00 O ATOM 102 CB PRO A 7 -1.955 -7.688 -7.949 1.00 0.00 C ATOM 103 CG PRO A 7 -1.597 -9.051 -8.437 1.00 0.00 C ATOM 104 CD PRO A 7 -0.389 -9.472 -7.666 1.00 0.00 C ATOM 0 HA PRO A 7 -1.206 -6.681 -6.152 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.027 -7.507 -8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.457 -6.914 -8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.420 -9.748 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.390 -9.038 -9.507 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.444 -10.521 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.522 -9.350 -8.252 1.00 0.00 H new ATOM 112 N VAL A 8 -3.022 -7.245 -4.763 1.00 0.00 N ATOM 113 CA VAL A 8 -4.160 -7.456 -3.947 1.00 0.00 C ATOM 114 C VAL A 8 -5.249 -6.552 -4.466 1.00 0.00 C ATOM 115 O VAL A 8 -5.227 -5.349 -4.215 1.00 0.00 O ATOM 116 CB VAL A 8 -3.875 -7.131 -2.458 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.092 -7.390 -1.584 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.664 -7.896 -1.954 1.00 0.00 C ATOM 0 H VAL A 8 -2.549 -6.355 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.450 -8.506 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.650 -6.066 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.853 -7.151 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.920 -6.766 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.376 -8.440 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.487 -7.649 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.845 -8.967 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.789 -7.622 -2.544 1.00 0.00 H new ATOM 128 N GLU A 9 -6.139 -7.095 -5.251 1.00 0.00 N ATOM 129 CA GLU A 9 -7.200 -6.309 -5.800 1.00 0.00 C ATOM 130 C GLU A 9 -8.370 -6.318 -4.839 1.00 0.00 C ATOM 131 O GLU A 9 -9.105 -7.307 -4.727 1.00 0.00 O ATOM 132 CB GLU A 9 -7.576 -6.793 -7.199 1.00 0.00 C ATOM 133 CG GLU A 9 -8.630 -5.948 -7.892 1.00 0.00 C ATOM 134 CD GLU A 9 -8.803 -6.334 -9.334 1.00 0.00 C ATOM 135 OE1 GLU A 9 -9.263 -7.455 -9.611 1.00 0.00 O ATOM 136 OE2 GLU A 9 -8.497 -5.511 -10.225 1.00 0.00 O ATOM 0 H GLU A 9 -6.147 -8.078 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.872 -5.277 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.679 -6.812 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.937 -7.819 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.581 -6.056 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.350 -4.896 -7.829 1.00 0.00 H new ATOM 143 N LEU A 10 -8.517 -5.229 -4.138 1.00 0.00 N ATOM 144 CA LEU A 10 -9.483 -5.117 -3.097 1.00 0.00 C ATOM 145 C LEU A 10 -10.686 -4.389 -3.642 1.00 0.00 C ATOM 146 O LEU A 10 -10.525 -3.431 -4.398 1.00 0.00 O ATOM 147 CB LEU A 10 -8.874 -4.267 -1.970 1.00 0.00 C ATOM 148 CG LEU A 10 -9.074 -4.724 -0.516 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.529 -4.999 -0.188 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.203 -5.919 -0.212 1.00 0.00 C ATOM 0 H LEU A 10 -7.959 -4.387 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.768 -6.102 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.801 -4.197 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.279 -3.259 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.766 -3.900 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.614 -5.318 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.114 -4.091 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.907 -5.785 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.358 -6.229 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.465 -6.740 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.156 -5.653 -0.358 1.00 0.00 H new ATOM 162 N GLU A 11 -11.870 -4.851 -3.309 1.00 0.00 N ATOM 163 CA GLU A 11 -13.061 -4.114 -3.628 1.00 0.00 C ATOM 164 C GLU A 11 -13.485 -3.390 -2.361 1.00 0.00 C ATOM 165 O GLU A 11 -13.966 -4.006 -1.396 1.00 0.00 O ATOM 166 CB GLU A 11 -14.185 -5.007 -4.160 1.00 0.00 C ATOM 167 CG GLU A 11 -15.403 -4.210 -4.618 1.00 0.00 C ATOM 168 CD GLU A 11 -16.506 -5.073 -5.155 1.00 0.00 C ATOM 169 OE1 GLU A 11 -16.506 -5.373 -6.364 1.00 0.00 O ATOM 170 OE2 GLU A 11 -17.402 -5.462 -4.385 1.00 0.00 O ATOM 0 H GLU A 11 -12.029 -5.731 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.852 -3.409 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.809 -5.599 -4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.486 -5.708 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.783 -3.626 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.097 -3.502 -5.388 1.00 0.00 H new ATOM 177 N LYS A 12 -13.225 -2.119 -2.339 1.00 0.00 N ATOM 178 CA LYS A 12 -13.466 -1.298 -1.192 1.00 0.00 C ATOM 179 C LYS A 12 -14.756 -0.524 -1.256 1.00 0.00 C ATOM 180 O LYS A 12 -15.466 -0.526 -2.261 1.00 0.00 O ATOM 181 CB LYS A 12 -12.277 -0.355 -0.911 1.00 0.00 C ATOM 182 CG LYS A 12 -11.053 -1.052 -0.356 1.00 0.00 C ATOM 183 CD LYS A 12 -11.329 -1.634 1.010 1.00 0.00 C ATOM 184 CE LYS A 12 -10.982 -0.759 2.211 1.00 0.00 C ATOM 185 NZ LYS A 12 -11.849 0.442 2.348 1.00 0.00 N ATOM 0 H LYS A 12 -12.832 -1.613 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.569 -1.992 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.004 0.154 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.595 0.413 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.743 -1.845 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.226 -0.345 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.389 -1.883 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.776 -2.569 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.059 -1.357 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.944 -0.439 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.612 0.942 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.695 1.076 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.847 0.149 2.374 1.00 0.00 H new ATOM 199 N ASP A 13 -15.025 0.117 -0.142 1.00 0.00 N ATOM 200 CA ASP A 13 -16.169 0.964 0.119 1.00 0.00 C ATOM 201 C ASP A 13 -16.127 2.162 -0.823 1.00 0.00 C ATOM 202 O ASP A 13 -15.076 2.458 -1.411 1.00 0.00 O ATOM 203 CB ASP A 13 -16.026 1.527 1.552 1.00 0.00 C ATOM 204 CG ASP A 13 -15.609 0.506 2.610 1.00 0.00 C ATOM 205 OD1 ASP A 13 -14.439 -0.001 2.555 1.00 0.00 O ATOM 206 OD2 ASP A 13 -16.370 0.270 3.565 1.00 0.00 O ATOM 0 H ASP A 13 -14.405 0.056 0.666 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.089 0.394 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.292 2.333 1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.978 1.968 1.849 1.00 0.00 H new ATOM 211 N GLU A 14 -17.223 2.904 -0.908 1.00 0.00 N ATOM 212 CA GLU A 14 -17.266 4.118 -1.729 1.00 0.00 C ATOM 213 C GLU A 14 -16.293 5.157 -1.166 1.00 0.00 C ATOM 214 O GLU A 14 -15.783 6.017 -1.881 1.00 0.00 O ATOM 215 CB GLU A 14 -18.679 4.697 -1.801 1.00 0.00 C ATOM 216 CG GLU A 14 -19.251 5.133 -0.465 1.00 0.00 C ATOM 217 CD GLU A 14 -20.581 5.800 -0.616 1.00 0.00 C ATOM 218 OE1 GLU A 14 -20.623 6.993 -0.930 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.620 5.137 -0.414 1.00 0.00 O ATOM 0 H GLU A 14 -18.094 2.692 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.967 3.854 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.673 5.553 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.342 3.951 -2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.353 4.265 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.555 5.817 0.021 1.00 0.00 H new ATOM 226 N ASP A 15 -16.023 5.015 0.123 1.00 0.00 N ATOM 227 CA ASP A 15 -15.095 5.851 0.859 1.00 0.00 C ATOM 228 C ASP A 15 -13.718 5.776 0.242 1.00 0.00 C ATOM 229 O ASP A 15 -13.064 6.790 0.006 1.00 0.00 O ATOM 230 CB ASP A 15 -15.023 5.367 2.312 1.00 0.00 C ATOM 231 CG ASP A 15 -13.898 6.004 3.105 1.00 0.00 C ATOM 232 OD1 ASP A 15 -14.093 7.088 3.699 1.00 0.00 O ATOM 233 OD2 ASP A 15 -12.798 5.422 3.152 1.00 0.00 O ATOM 0 H ASP A 15 -16.457 4.294 0.699 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.444 6.883 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.971 5.580 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.896 4.284 2.321 1.00 0.00 H new ATOM 238 N GLY A 16 -13.299 4.587 -0.050 1.00 0.00 N ATOM 239 CA GLY A 16 -11.996 4.385 -0.558 1.00 0.00 C ATOM 240 C GLY A 16 -11.318 3.412 0.314 1.00 0.00 C ATOM 241 O GLY A 16 -11.811 2.309 0.480 1.00 0.00 O ATOM 0 H GLY A 16 -13.853 3.738 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.039 4.015 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.445 5.325 -0.582 1.00 0.00 H new ATOM 245 N LEU A 17 -10.250 3.795 0.945 1.00 0.00 N ATOM 246 CA LEU A 17 -9.562 2.858 1.804 1.00 0.00 C ATOM 247 C LEU A 17 -9.813 3.183 3.221 1.00 0.00 C ATOM 248 O LEU A 17 -10.216 2.313 3.998 1.00 0.00 O ATOM 249 CB LEU A 17 -8.071 2.860 1.591 1.00 0.00 C ATOM 250 CG LEU A 17 -7.608 2.786 0.176 1.00 0.00 C ATOM 251 CD1 LEU A 17 -6.124 2.618 0.123 1.00 0.00 C ATOM 252 CD2 LEU A 17 -8.317 1.707 -0.615 1.00 0.00 C ATOM 0 H LEU A 17 -9.837 4.726 0.890 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.952 1.872 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.662 3.766 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.646 2.016 2.135 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.869 3.731 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.801 2.566 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.644 3.467 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.843 1.699 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.940 1.699 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.134 0.737 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.388 1.907 -0.625 1.00 0.00 H new ATOM 264 N GLY A 18 -9.595 4.433 3.554 1.00 0.00 N ATOM 265 CA GLY A 18 -9.681 4.864 4.906 1.00 0.00 C ATOM 266 C GLY A 18 -8.519 4.328 5.698 1.00 0.00 C ATOM 267 O GLY A 18 -8.647 4.026 6.882 1.00 0.00 O ATOM 0 H GLY A 18 -9.355 5.168 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.688 5.953 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.618 4.522 5.345 1.00 0.00 H new ATOM 271 N ILE A 19 -7.383 4.144 5.033 1.00 0.00 N ATOM 272 CA ILE A 19 -6.215 3.648 5.731 1.00 0.00 C ATOM 273 C ILE A 19 -5.198 4.760 5.906 1.00 0.00 C ATOM 274 O ILE A 19 -5.349 5.842 5.332 1.00 0.00 O ATOM 275 CB ILE A 19 -5.549 2.421 5.046 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.833 2.818 3.757 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.598 1.360 4.762 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.048 1.682 3.120 1.00 0.00 C ATOM 0 H ILE A 19 -7.252 4.327 4.038 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.567 3.303 6.703 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.800 2.017 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.569 3.186 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.154 3.644 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.127 0.502 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.059 1.044 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.362 1.771 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.567 2.038 2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.289 1.329 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.725 0.864 2.876 1.00 0.00 H new ATOM 290 N SER A 20 -4.177 4.483 6.657 1.00 0.00 N ATOM 291 CA SER A 20 -3.155 5.443 6.966 1.00 0.00 C ATOM 292 C SER A 20 -1.803 4.876 6.570 1.00 0.00 C ATOM 293 O SER A 20 -1.613 3.654 6.597 1.00 0.00 O ATOM 294 CB SER A 20 -3.214 5.736 8.461 1.00 0.00 C ATOM 295 OG SER A 20 -4.536 6.124 8.842 1.00 0.00 O ATOM 0 H SER A 20 -4.025 3.568 7.081 1.00 0.00 H new ATOM 0 HA SER A 20 -3.308 6.371 6.415 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.911 4.853 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.509 6.529 8.710 1.00 0.00 H new ATOM 0 HG SER A 20 -4.559 6.307 9.804 1.00 0.00 H new ATOM 301 N ILE A 21 -0.879 5.735 6.215 1.00 0.00 N ATOM 302 CA ILE A 21 0.445 5.322 5.768 1.00 0.00 C ATOM 303 C ILE A 21 1.487 6.003 6.614 1.00 0.00 C ATOM 304 O ILE A 21 1.189 6.990 7.289 1.00 0.00 O ATOM 305 CB ILE A 21 0.674 5.669 4.259 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.563 7.181 3.986 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.274 4.888 3.359 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.887 7.946 4.048 1.00 0.00 C ATOM 0 H ILE A 21 -1.017 6.746 6.225 1.00 0.00 H new ATOM 0 HA ILE A 21 0.524 4.240 5.876 1.00 0.00 H new ATOM 0 HB ILE A 21 1.695 5.369 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.122 7.326 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.126 7.617 4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.088 5.153 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.109 3.819 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.304 5.132 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.707 9.001 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.323 7.839 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.575 7.544 3.304 1.00 0.00 H new ATOM 320 N ILE A 22 2.667 5.480 6.623 1.00 0.00 N ATOM 321 CA ILE A 22 3.726 6.097 7.346 1.00 0.00 C ATOM 322 C ILE A 22 4.973 6.155 6.475 1.00 0.00 C ATOM 323 O ILE A 22 5.392 5.140 5.891 1.00 0.00 O ATOM 324 CB ILE A 22 3.968 5.421 8.735 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.045 6.156 9.542 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.293 3.940 8.598 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.252 5.603 10.944 1.00 0.00 C ATOM 0 H ILE A 22 2.923 4.622 6.135 1.00 0.00 H new ATOM 0 HA ILE A 22 3.441 7.122 7.584 1.00 0.00 H new ATOM 0 HB ILE A 22 3.033 5.496 9.290 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.989 6.105 8.999 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.775 7.210 9.614 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.454 3.510 9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.463 3.429 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.195 3.819 7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.029 6.176 11.450 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.321 5.679 11.506 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.554 4.558 10.882 1.00 0.00 H new ATOM 339 N GLY A 23 5.519 7.339 6.333 1.00 0.00 N ATOM 340 CA GLY A 23 6.645 7.531 5.474 1.00 0.00 C ATOM 341 C GLY A 23 7.940 7.326 6.178 1.00 0.00 C ATOM 342 O GLY A 23 8.460 8.238 6.814 1.00 0.00 O ATOM 0 H GLY A 23 5.195 8.182 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.579 6.840 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.615 8.539 5.061 1.00 0.00 H new ATOM 346 N MET A 24 8.471 6.146 6.047 1.00 0.00 N ATOM 347 CA MET A 24 9.715 5.786 6.686 1.00 0.00 C ATOM 348 C MET A 24 10.722 5.526 5.621 1.00 0.00 C ATOM 349 O MET A 24 10.979 4.374 5.279 1.00 0.00 O ATOM 350 CB MET A 24 9.579 4.533 7.577 1.00 0.00 C ATOM 351 CG MET A 24 8.484 4.604 8.625 1.00 0.00 C ATOM 352 SD MET A 24 8.618 6.053 9.705 1.00 0.00 S ATOM 353 CE MET A 24 10.261 5.834 10.376 1.00 0.00 C ATOM 0 H MET A 24 8.056 5.398 5.492 1.00 0.00 H new ATOM 0 HA MET A 24 10.020 6.608 7.334 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.393 3.670 6.938 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.530 4.358 8.079 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.515 4.619 8.127 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.515 3.701 9.235 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.401 6.507 11.222 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.384 4.803 10.708 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.001 6.058 9.607 1.00 0.00 H new ATOM 363 N GLY A 25 11.228 6.606 5.049 1.00 0.00 N ATOM 364 CA GLY A 25 12.162 6.537 3.946 1.00 0.00 C ATOM 365 C GLY A 25 13.301 5.587 4.196 1.00 0.00 C ATOM 366 O GLY A 25 14.161 5.839 5.041 1.00 0.00 O ATOM 0 H GLY A 25 11.000 7.557 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.630 6.228 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.562 7.532 3.754 1.00 0.00 H new ATOM 488 N LEU A 35 10.499 2.558 -1.906 1.00 0.00 N ATOM 489 CA LEU A 35 9.850 3.527 -1.043 1.00 0.00 C ATOM 490 C LEU A 35 9.875 3.034 0.407 1.00 0.00 C ATOM 491 O LEU A 35 9.993 1.833 0.665 1.00 0.00 O ATOM 492 CB LEU A 35 8.381 3.659 -1.446 1.00 0.00 C ATOM 493 CG LEU A 35 7.580 2.345 -1.384 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.237 2.574 -0.786 1.00 0.00 C ATOM 495 CD2 LEU A 35 7.417 1.726 -2.754 1.00 0.00 C ATOM 0 HA LEU A 35 10.374 4.478 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.904 4.392 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.330 4.053 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 35 8.145 1.656 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.689 1.633 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.351 2.964 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.686 3.293 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.847 0.801 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.888 2.420 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.399 1.510 -3.175 1.00 0.00 H new ATOM 507 N GLY A 36 9.732 3.935 1.330 1.00 0.00 N ATOM 508 CA GLY A 36 9.663 3.541 2.707 1.00 0.00 C ATOM 509 C GLY A 36 8.289 3.751 3.273 1.00 0.00 C ATOM 510 O GLY A 36 8.123 4.009 4.445 1.00 0.00 O ATOM 0 H GLY A 36 9.661 4.938 1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.939 2.491 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.387 4.113 3.287 1.00 0.00 H new ATOM 514 N ILE A 37 7.305 3.638 2.451 1.00 0.00 N ATOM 515 CA ILE A 37 5.956 3.879 2.893 1.00 0.00 C ATOM 516 C ILE A 37 5.323 2.603 3.387 1.00 0.00 C ATOM 517 O ILE A 37 5.068 1.672 2.621 1.00 0.00 O ATOM 518 CB ILE A 37 5.077 4.502 1.802 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.777 5.725 1.178 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.717 4.883 2.388 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.930 6.912 2.077 1.00 0.00 C ATOM 0 H ILE A 37 7.398 3.381 1.468 1.00 0.00 H new ATOM 0 HA ILE A 37 6.023 4.597 3.710 1.00 0.00 H new ATOM 0 HB ILE A 37 4.918 3.771 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.766 5.420 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.216 6.031 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.096 5.325 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.227 3.992 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.857 5.604 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.434 7.714 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.946 7.254 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.521 6.634 2.950 1.00 0.00 H new ATOM 533 N PHE A 38 5.089 2.563 4.647 1.00 0.00 N ATOM 534 CA PHE A 38 4.487 1.427 5.275 1.00 0.00 C ATOM 535 C PHE A 38 3.065 1.727 5.605 1.00 0.00 C ATOM 536 O PHE A 38 2.668 2.898 5.651 1.00 0.00 O ATOM 537 CB PHE A 38 5.256 1.046 6.533 1.00 0.00 C ATOM 538 CG PHE A 38 6.611 0.474 6.252 1.00 0.00 C ATOM 539 CD1 PHE A 38 7.712 1.295 6.112 1.00 0.00 C ATOM 540 CD2 PHE A 38 6.776 -0.889 6.119 1.00 0.00 C ATOM 541 CE1 PHE A 38 8.953 0.771 5.846 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.011 -1.429 5.853 1.00 0.00 C ATOM 543 CZ PHE A 38 9.108 -0.598 5.715 1.00 0.00 C ATOM 0 H PHE A 38 5.310 3.325 5.288 1.00 0.00 H new ATOM 0 HA PHE A 38 4.519 0.583 4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.366 1.928 7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.674 0.320 7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.596 2.364 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.922 -1.541 6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.806 1.425 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.125 -2.498 5.752 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.082 -1.016 5.506 1.00 0.00 H new ATOM 553 N VAL A 39 2.289 0.698 5.797 1.00 0.00 N ATOM 554 CA VAL A 39 0.929 0.874 6.200 1.00 0.00 C ATOM 555 C VAL A 39 0.940 1.256 7.667 1.00 0.00 C ATOM 556 O VAL A 39 1.500 0.549 8.496 1.00 0.00 O ATOM 557 CB VAL A 39 0.085 -0.407 5.987 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.373 -0.156 6.338 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.206 -0.903 4.555 1.00 0.00 C ATOM 0 H VAL A 39 2.579 -0.273 5.680 1.00 0.00 H new ATOM 0 HA VAL A 39 0.469 1.651 5.590 1.00 0.00 H new ATOM 0 HB VAL A 39 0.473 -1.179 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.947 -1.069 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.449 0.145 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.769 0.636 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.395 -1.803 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.149 -0.132 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.249 -1.130 4.336 1.00 0.00 H new ATOM 569 N LYS A 40 0.382 2.375 7.967 1.00 0.00 N ATOM 570 CA LYS A 40 0.381 2.871 9.306 1.00 0.00 C ATOM 571 C LYS A 40 -0.788 2.315 10.077 1.00 0.00 C ATOM 572 O LYS A 40 -0.640 1.857 11.205 1.00 0.00 O ATOM 573 CB LYS A 40 0.342 4.389 9.297 1.00 0.00 C ATOM 574 CG LYS A 40 0.182 4.998 10.651 1.00 0.00 C ATOM 575 CD LYS A 40 0.203 6.497 10.613 1.00 0.00 C ATOM 576 CE LYS A 40 -0.051 7.024 11.995 1.00 0.00 C ATOM 577 NZ LYS A 40 -0.170 8.500 12.025 1.00 0.00 N ATOM 0 H LYS A 40 -0.089 2.977 7.292 1.00 0.00 H new ATOM 0 HA LYS A 40 1.297 2.547 9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.261 4.764 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.481 4.718 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.758 4.662 11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.981 4.643 11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.167 6.851 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.556 6.867 9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.966 6.581 12.387 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.761 6.714 12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.345 8.814 13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.712 8.927 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.961 8.797 11.419 1.00 0.00 H new ATOM 591 N THR A 41 -1.944 2.375 9.488 1.00 0.00 N ATOM 592 CA THR A 41 -3.133 1.895 10.121 1.00 0.00 C ATOM 593 C THR A 41 -4.073 1.493 9.010 1.00 0.00 C ATOM 594 O THR A 41 -3.886 1.932 7.865 1.00 0.00 O ATOM 595 CB THR A 41 -3.838 3.012 10.906 1.00 0.00 C ATOM 596 OG1 THR A 41 -2.863 3.900 11.485 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.659 2.431 12.041 1.00 0.00 C ATOM 0 H THR A 41 -2.089 2.759 8.554 1.00 0.00 H new ATOM 0 HA THR A 41 -2.878 1.083 10.802 1.00 0.00 H new ATOM 0 HB THR A 41 -4.484 3.548 10.211 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.321 4.610 11.982 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.150 3.238 12.585 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.412 1.755 11.636 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.005 1.882 12.719 1.00 0.00 H new ATOM 605 N VAL A 42 -5.060 0.717 9.308 1.00 0.00 N ATOM 606 CA VAL A 42 -6.034 0.336 8.334 1.00 0.00 C ATOM 607 C VAL A 42 -7.396 0.602 8.956 1.00 0.00 C ATOM 608 O VAL A 42 -7.515 0.618 10.182 1.00 0.00 O ATOM 609 CB VAL A 42 -5.912 -1.180 7.925 1.00 0.00 C ATOM 610 CG1 VAL A 42 -6.909 -1.528 6.843 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.519 -1.515 7.431 1.00 0.00 C ATOM 0 H VAL A 42 -5.217 0.326 10.237 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.884 0.910 7.419 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.121 -1.766 8.820 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.805 -2.580 6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.920 -1.343 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.722 -0.912 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.473 -2.569 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.285 -0.904 6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.795 -1.313 8.220 1.00 0.00 H new ATOM 621 N THR A 43 -8.383 0.878 8.134 1.00 0.00 N ATOM 622 CA THR A 43 -9.736 1.080 8.584 1.00 0.00 C ATOM 623 C THR A 43 -10.235 -0.219 9.264 1.00 0.00 C ATOM 624 O THR A 43 -9.810 -1.323 8.879 1.00 0.00 O ATOM 625 CB THR A 43 -10.637 1.454 7.384 1.00 0.00 C ATOM 626 OG1 THR A 43 -11.968 1.754 7.807 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.658 0.324 6.377 1.00 0.00 C ATOM 0 H THR A 43 -8.265 0.969 7.125 1.00 0.00 H new ATOM 0 HA THR A 43 -9.775 1.897 9.304 1.00 0.00 H new ATOM 0 HB THR A 43 -10.221 2.347 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.514 1.988 7.028 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.295 0.598 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.646 0.137 6.019 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.048 -0.577 6.850 1.00 0.00 H new ATOM 664 N ALA A 47 -14.061 -3.421 4.495 1.00 0.00 N ATOM 665 CA ALA A 47 -13.669 -4.209 3.337 1.00 0.00 C ATOM 666 C ALA A 47 -12.174 -4.599 3.371 1.00 0.00 C ATOM 667 O ALA A 47 -11.848 -5.729 3.091 1.00 0.00 O ATOM 668 CB ALA A 47 -13.996 -3.460 2.056 1.00 0.00 C ATOM 0 HA ALA A 47 -14.241 -5.136 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.698 -4.061 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.068 -3.269 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.457 -2.513 2.041 1.00 0.00 H new ATOM 674 N ALA A 48 -11.269 -3.673 3.766 1.00 0.00 N ATOM 675 CA ALA A 48 -9.794 -3.967 3.729 1.00 0.00 C ATOM 676 C ALA A 48 -9.453 -5.050 4.703 1.00 0.00 C ATOM 677 O ALA A 48 -8.976 -6.109 4.335 1.00 0.00 O ATOM 678 CB ALA A 48 -8.967 -2.728 4.051 1.00 0.00 C ATOM 0 H ALA A 48 -11.510 -2.742 4.105 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.554 -4.292 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.907 -2.979 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.181 -1.948 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.221 -2.370 5.049 1.00 0.00 H new ATOM 684 N GLN A 49 -9.741 -4.795 5.950 1.00 0.00 N ATOM 685 CA GLN A 49 -9.516 -5.771 6.982 1.00 0.00 C ATOM 686 C GLN A 49 -10.593 -6.847 7.006 1.00 0.00 C ATOM 687 O GLN A 49 -10.630 -7.686 7.885 1.00 0.00 O ATOM 688 CB GLN A 49 -9.327 -5.102 8.314 1.00 0.00 C ATOM 689 CG GLN A 49 -7.986 -4.408 8.409 1.00 0.00 C ATOM 690 CD GLN A 49 -7.659 -3.860 9.782 1.00 0.00 C ATOM 691 OE1 GLN A 49 -6.498 -3.802 10.167 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.655 -3.447 10.511 1.00 0.00 N ATOM 0 H GLN A 49 -10.135 -3.913 6.278 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.589 -6.295 6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.124 -4.376 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.409 -5.844 9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.206 -5.111 8.117 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.963 -3.589 7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.609 -3.512 10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.482 -3.058 11.438 1.00 0.00 H new ATOM 701 N ARG A 50 -11.466 -6.813 6.024 1.00 0.00 N ATOM 702 CA ARG A 50 -12.409 -7.870 5.846 1.00 0.00 C ATOM 703 C ARG A 50 -11.866 -8.831 4.844 1.00 0.00 C ATOM 704 O ARG A 50 -12.192 -10.016 4.863 1.00 0.00 O ATOM 705 CB ARG A 50 -13.766 -7.379 5.425 1.00 0.00 C ATOM 706 CG ARG A 50 -14.440 -6.562 6.486 1.00 0.00 C ATOM 707 CD ARG A 50 -14.534 -7.294 7.823 1.00 0.00 C ATOM 708 NE ARG A 50 -15.143 -8.610 7.707 1.00 0.00 N ATOM 709 CZ ARG A 50 -15.229 -9.495 8.703 1.00 0.00 C ATOM 710 NH1 ARG A 50 -14.802 -9.180 9.932 1.00 0.00 N ATOM 711 NH2 ARG A 50 -15.734 -10.701 8.469 1.00 0.00 N ATOM 0 H ARG A 50 -11.535 -6.059 5.340 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.551 -8.361 6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.667 -6.780 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.396 -8.233 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.892 -5.630 6.624 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.442 -6.295 6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.535 -7.398 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.114 -6.691 8.521 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.531 -8.875 6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.407 -8.257 10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.872 -9.863 10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.054 -10.947 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.802 -11.381 9.226 1.00 0.00 H new ATOM 725 N ASP A 51 -11.028 -8.310 3.944 1.00 0.00 N ATOM 726 CA ASP A 51 -10.327 -9.165 2.999 1.00 0.00 C ATOM 727 C ASP A 51 -9.344 -10.038 3.775 1.00 0.00 C ATOM 728 O ASP A 51 -9.124 -11.205 3.447 1.00 0.00 O ATOM 729 CB ASP A 51 -9.599 -8.340 1.936 1.00 0.00 C ATOM 730 CG ASP A 51 -8.899 -9.211 0.909 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.562 -9.785 0.015 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.691 -9.343 0.973 1.00 0.00 O ATOM 0 H ASP A 51 -10.824 -7.315 3.854 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.048 -9.793 2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.314 -7.690 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.867 -7.693 2.420 1.00 0.00 H new ATOM 737 N GLY A 52 -8.744 -9.448 4.802 1.00 0.00 N ATOM 738 CA GLY A 52 -7.904 -10.194 5.731 1.00 0.00 C ATOM 739 C GLY A 52 -6.463 -10.322 5.290 1.00 0.00 C ATOM 740 O GLY A 52 -5.557 -10.377 6.121 1.00 0.00 O ATOM 0 H GLY A 52 -8.824 -8.453 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.933 -9.705 6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.323 -11.192 5.863 1.00 0.00 H new ATOM 744 N ARG A 53 -6.273 -10.372 3.997 1.00 0.00 N ATOM 745 CA ARG A 53 -4.987 -10.560 3.352 1.00 0.00 C ATOM 746 C ARG A 53 -4.035 -9.437 3.684 1.00 0.00 C ATOM 747 O ARG A 53 -2.931 -9.657 4.166 1.00 0.00 O ATOM 748 CB ARG A 53 -5.241 -10.491 1.917 1.00 0.00 C ATOM 749 CG ARG A 53 -4.267 -11.186 1.060 1.00 0.00 C ATOM 750 CD ARG A 53 -4.481 -10.743 -0.339 1.00 0.00 C ATOM 751 NE ARG A 53 -5.928 -10.592 -0.683 1.00 0.00 N ATOM 752 CZ ARG A 53 -6.484 -10.738 -1.891 1.00 0.00 C ATOM 753 NH1 ARG A 53 -5.766 -11.183 -2.919 1.00 0.00 N ATOM 754 NH2 ARG A 53 -7.777 -10.447 -2.051 1.00 0.00 N ATOM 0 H ARG A 53 -7.040 -10.279 3.331 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.547 -11.502 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.230 -10.906 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.272 -9.442 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.250 -10.959 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.393 -12.266 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.974 -9.791 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.024 -11.463 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.557 -10.353 0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.781 -11.417 -2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.200 -11.291 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.328 -10.118 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.214 -10.554 -2.966 1.00 0.00 H new ATOM 768 N ILE A 54 -4.482 -8.236 3.420 1.00 0.00 N ATOM 769 CA ILE A 54 -3.683 -7.060 3.608 1.00 0.00 C ATOM 770 C ILE A 54 -3.797 -6.613 5.069 1.00 0.00 C ATOM 771 O ILE A 54 -4.884 -6.725 5.677 1.00 0.00 O ATOM 772 CB ILE A 54 -4.182 -5.923 2.669 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.208 -4.751 2.684 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.596 -5.460 3.071 1.00 0.00 C ATOM 775 CD1 ILE A 54 -3.624 -3.606 1.796 1.00 0.00 C ATOM 0 H ILE A 54 -5.420 -8.049 3.065 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.643 -7.281 3.368 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.231 -6.317 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.106 -4.388 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.225 -5.103 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.923 -4.665 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.287 -6.300 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.579 -5.087 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.883 -2.809 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.698 -3.953 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.593 -3.227 2.121 1.00 0.00 H new ATOM 787 N GLN A 55 -2.720 -6.151 5.652 1.00 0.00 N ATOM 788 CA GLN A 55 -2.780 -5.692 7.022 1.00 0.00 C ATOM 789 C GLN A 55 -1.890 -4.470 7.253 1.00 0.00 C ATOM 790 O GLN A 55 -1.206 -3.997 6.344 1.00 0.00 O ATOM 791 CB GLN A 55 -2.399 -6.793 8.033 1.00 0.00 C ATOM 792 CG GLN A 55 -3.328 -7.993 8.086 1.00 0.00 C ATOM 793 CD GLN A 55 -2.987 -8.942 9.208 1.00 0.00 C ATOM 794 OE1 GLN A 55 -2.194 -9.862 9.045 1.00 0.00 O ATOM 795 NE2 GLN A 55 -3.601 -8.741 10.350 1.00 0.00 N ATOM 0 H GLN A 55 -1.803 -6.082 5.211 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.821 -5.415 7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.395 -7.145 7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.355 -6.348 9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.355 -7.648 8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.281 -8.527 7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.255 -7.964 10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.425 -9.362 11.140 1.00 0.00 H new ATOM 804 N VAL A 56 -1.894 -3.993 8.502 1.00 0.00 N ATOM 805 CA VAL A 56 -1.086 -2.847 8.947 1.00 0.00 C ATOM 806 C VAL A 56 0.403 -3.152 8.812 1.00 0.00 C ATOM 807 O VAL A 56 1.214 -2.284 8.519 1.00 0.00 O ATOM 808 CB VAL A 56 -1.397 -2.502 10.444 1.00 0.00 C ATOM 809 CG1 VAL A 56 -0.472 -1.420 10.976 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.839 -2.070 10.616 1.00 0.00 C ATOM 0 H VAL A 56 -2.466 -4.396 9.244 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.342 -1.997 8.315 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.228 -3.412 11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.719 -1.209 12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.561 -1.760 10.910 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.594 -0.513 10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.026 -1.837 11.664 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.029 -1.185 10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.501 -2.876 10.300 1.00 0.00 H new ATOM 820 N ASN A 57 0.741 -4.397 8.958 1.00 0.00 N ATOM 821 CA ASN A 57 2.130 -4.817 8.953 1.00 0.00 C ATOM 822 C ASN A 57 2.692 -5.019 7.552 1.00 0.00 C ATOM 823 O ASN A 57 3.732 -5.661 7.375 1.00 0.00 O ATOM 824 CB ASN A 57 2.325 -6.065 9.806 1.00 0.00 C ATOM 825 CG ASN A 57 2.346 -5.774 11.293 1.00 0.00 C ATOM 826 OD1 ASN A 57 3.396 -5.514 11.861 1.00 0.00 O ATOM 827 ND2 ASN A 57 1.205 -5.811 11.930 1.00 0.00 N ATOM 0 H ASN A 57 0.072 -5.157 9.084 1.00 0.00 H new ATOM 0 HA ASN A 57 2.699 -3.999 9.394 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.524 -6.772 9.592 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.260 -6.548 9.524 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.174 -5.619 12.931 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.346 -6.031 11.426 1.00 0.00 H new ATOM 834 N ASP A 58 2.045 -4.459 6.561 1.00 0.00 N ATOM 835 CA ASP A 58 2.541 -4.559 5.209 1.00 0.00 C ATOM 836 C ASP A 58 3.169 -3.276 4.752 1.00 0.00 C ATOM 837 O ASP A 58 3.165 -2.253 5.473 1.00 0.00 O ATOM 838 CB ASP A 58 1.469 -4.991 4.201 1.00 0.00 C ATOM 839 CG ASP A 58 1.051 -6.430 4.347 1.00 0.00 C ATOM 840 OD1 ASP A 58 1.922 -7.327 4.164 1.00 0.00 O ATOM 841 OD2 ASP A 58 -0.124 -6.703 4.666 1.00 0.00 O ATOM 0 H ASP A 58 1.178 -3.931 6.662 1.00 0.00 H new ATOM 0 HA ASP A 58 3.300 -5.341 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.593 -4.353 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.846 -4.831 3.191 1.00 0.00 H new ATOM 846 N GLN A 59 3.719 -3.326 3.577 1.00 0.00 N ATOM 847 CA GLN A 59 4.313 -2.193 2.955 1.00 0.00 C ATOM 848 C GLN A 59 3.719 -2.039 1.575 1.00 0.00 C ATOM 849 O GLN A 59 3.559 -3.021 0.854 1.00 0.00 O ATOM 850 CB GLN A 59 5.815 -2.371 2.837 1.00 0.00 C ATOM 851 CG GLN A 59 6.502 -1.157 2.237 1.00 0.00 C ATOM 852 CD GLN A 59 7.986 -1.308 2.055 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.503 -2.396 1.816 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.677 -0.214 2.173 1.00 0.00 N ATOM 0 H GLN A 59 3.766 -4.176 3.016 1.00 0.00 H new ATOM 0 HA GLN A 59 4.118 -1.307 3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.232 -2.569 3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.026 -3.245 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.050 -0.941 1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.313 -0.295 2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.205 0.668 2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.691 -0.237 2.067 1.00 0.00 H new ATOM 863 N ILE A 60 3.393 -0.832 1.218 1.00 0.00 N ATOM 864 CA ILE A 60 2.847 -0.536 -0.081 1.00 0.00 C ATOM 865 C ILE A 60 3.989 -0.587 -1.083 1.00 0.00 C ATOM 866 O ILE A 60 5.102 -0.201 -0.772 1.00 0.00 O ATOM 867 CB ILE A 60 2.216 0.884 -0.094 1.00 0.00 C ATOM 868 CG1 ILE A 60 1.141 1.030 1.003 1.00 0.00 C ATOM 869 CG2 ILE A 60 1.620 1.190 -1.451 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.020 0.054 0.891 1.00 0.00 C ATOM 0 H ILE A 60 3.498 -0.017 1.822 1.00 0.00 H new ATOM 0 HA ILE A 60 2.071 -1.259 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 60 3.011 1.601 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.615 0.900 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.747 2.046 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.183 2.189 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.401 1.144 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.846 0.458 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.724 0.232 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.525 0.197 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.356 -0.967 0.953 1.00 0.00 H new ATOM 882 N VAL A 61 3.739 -1.132 -2.232 1.00 0.00 N ATOM 883 CA VAL A 61 4.748 -1.176 -3.260 1.00 0.00 C ATOM 884 C VAL A 61 4.262 -0.415 -4.497 1.00 0.00 C ATOM 885 O VAL A 61 4.906 0.532 -4.970 1.00 0.00 O ATOM 886 CB VAL A 61 5.113 -2.649 -3.609 1.00 0.00 C ATOM 887 CG1 VAL A 61 6.131 -2.742 -4.718 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.603 -3.388 -2.371 1.00 0.00 C ATOM 0 H VAL A 61 2.847 -1.555 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 61 5.653 -0.692 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 61 4.202 -3.126 -3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.351 -3.790 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.733 -2.272 -5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.046 -2.232 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.853 -4.415 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.488 -2.889 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.819 -3.389 -1.614 1.00 0.00 H new ATOM 898 N GLU A 62 3.103 -0.784 -4.970 1.00 0.00 N ATOM 899 CA GLU A 62 2.531 -0.197 -6.162 1.00 0.00 C ATOM 900 C GLU A 62 1.013 -0.269 -6.074 1.00 0.00 C ATOM 901 O GLU A 62 0.426 -1.318 -6.214 1.00 0.00 O ATOM 902 CB GLU A 62 3.053 -0.953 -7.400 1.00 0.00 C ATOM 903 CG GLU A 62 2.454 -0.523 -8.720 1.00 0.00 C ATOM 904 CD GLU A 62 3.039 -1.287 -9.872 1.00 0.00 C ATOM 905 OE1 GLU A 62 4.195 -1.016 -10.246 1.00 0.00 O ATOM 906 OE2 GLU A 62 2.361 -2.169 -10.421 1.00 0.00 O ATOM 0 H GLU A 62 2.522 -1.504 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 62 2.823 0.850 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.134 -0.828 -7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.862 -2.017 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.375 -0.672 -8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.625 0.543 -8.867 1.00 0.00 H new ATOM 913 N VAL A 63 0.389 0.828 -5.765 1.00 0.00 N ATOM 914 CA VAL A 63 -1.045 0.859 -5.676 1.00 0.00 C ATOM 915 C VAL A 63 -1.662 1.358 -6.951 1.00 0.00 C ATOM 916 O VAL A 63 -1.233 2.365 -7.490 1.00 0.00 O ATOM 917 CB VAL A 63 -1.533 1.681 -4.452 1.00 0.00 C ATOM 918 CG1 VAL A 63 -2.955 2.120 -4.627 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.451 0.820 -3.233 1.00 0.00 C ATOM 0 H VAL A 63 0.849 1.717 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.378 -0.168 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.902 2.565 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.269 2.693 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.037 2.742 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.595 1.245 -4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.791 1.385 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.083 -0.058 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.419 0.505 -3.079 1.00 0.00 H new ATOM 929 N ASP A 64 -2.606 0.568 -7.467 1.00 0.00 N ATOM 930 CA ASP A 64 -3.443 0.906 -8.635 1.00 0.00 C ATOM 931 C ASP A 64 -2.582 1.113 -9.895 1.00 0.00 C ATOM 932 O ASP A 64 -3.010 1.682 -10.900 1.00 0.00 O ATOM 933 CB ASP A 64 -4.317 2.137 -8.295 1.00 0.00 C ATOM 934 CG ASP A 64 -5.380 2.448 -9.324 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.196 1.561 -9.648 1.00 0.00 O ATOM 936 OD2 ASP A 64 -5.469 3.598 -9.773 1.00 0.00 O ATOM 0 H ASP A 64 -2.820 -0.350 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.109 0.074 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.798 1.971 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.670 3.007 -8.183 1.00 0.00 H new ATOM 941 N GLY A 65 -1.374 0.580 -9.837 1.00 0.00 N ATOM 942 CA GLY A 65 -0.432 0.707 -10.916 1.00 0.00 C ATOM 943 C GLY A 65 0.165 2.091 -11.002 1.00 0.00 C ATOM 944 O GLY A 65 0.668 2.486 -12.041 1.00 0.00 O ATOM 0 H GLY A 65 -1.027 0.049 -9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.367 -0.022 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.928 0.470 -11.857 1.00 0.00 H new ATOM 948 N ILE A 66 0.101 2.843 -9.913 1.00 0.00 N ATOM 949 CA ILE A 66 0.632 4.189 -9.904 1.00 0.00 C ATOM 950 C ILE A 66 2.161 4.160 -9.686 1.00 0.00 C ATOM 951 O ILE A 66 2.846 5.149 -9.930 1.00 0.00 O ATOM 952 CB ILE A 66 -0.073 5.061 -8.811 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.081 6.526 -9.247 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.634 4.916 -7.458 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.881 7.428 -8.348 1.00 0.00 C ATOM 0 H ILE A 66 -0.312 2.542 -9.030 1.00 0.00 H new ATOM 0 HA ILE A 66 0.431 4.645 -10.873 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.100 4.713 -8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.946 6.888 -9.287 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.481 6.591 -10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.127 5.531 -6.715 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.609 3.872 -7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.670 5.242 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.837 8.450 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.918 7.094 -8.327 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.469 7.395 -7.340 1.00 0.00 H new ATOM 967 N SER A 67 2.653 2.980 -9.250 1.00 0.00 N ATOM 968 CA SER A 67 4.048 2.712 -8.932 1.00 0.00 C ATOM 969 C SER A 67 4.677 3.834 -8.088 1.00 0.00 C ATOM 970 O SER A 67 5.364 4.711 -8.593 1.00 0.00 O ATOM 971 CB SER A 67 4.808 2.498 -10.207 1.00 0.00 C ATOM 972 OG SER A 67 4.192 1.502 -11.022 1.00 0.00 O ATOM 0 H SER A 67 2.056 2.165 -9.109 1.00 0.00 H new ATOM 0 HA SER A 67 4.098 1.809 -8.323 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.866 3.436 -10.759 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.831 2.200 -9.977 1.00 0.00 H new ATOM 0 HG SER A 67 4.431 0.612 -10.688 1.00 0.00 H new ATOM 978 N LEU A 68 4.433 3.799 -6.805 1.00 0.00 N ATOM 979 CA LEU A 68 4.880 4.864 -5.919 1.00 0.00 C ATOM 980 C LEU A 68 6.260 4.564 -5.339 1.00 0.00 C ATOM 981 O LEU A 68 6.668 5.112 -4.315 1.00 0.00 O ATOM 982 CB LEU A 68 3.878 5.080 -4.814 1.00 0.00 C ATOM 983 CG LEU A 68 3.594 3.879 -3.953 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.561 4.310 -2.523 1.00 0.00 C ATOM 985 CD2 LEU A 68 2.276 3.258 -4.354 1.00 0.00 C ATOM 0 H LEU A 68 3.926 3.046 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 68 4.959 5.779 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.236 5.887 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.941 5.417 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 68 4.375 3.131 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.356 3.448 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.525 4.740 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.778 5.056 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.077 2.389 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.476 3.988 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.322 2.948 -5.398 1.00 0.00 H new ATOM 997 N VAL A 69 6.936 3.669 -5.979 1.00 0.00 N ATOM 998 CA VAL A 69 8.315 3.345 -5.670 1.00 0.00 C ATOM 999 C VAL A 69 9.172 4.610 -5.795 1.00 0.00 C ATOM 1000 O VAL A 69 9.410 5.103 -6.888 1.00 0.00 O ATOM 1001 CB VAL A 69 8.872 2.238 -6.611 1.00 0.00 C ATOM 1002 CG1 VAL A 69 10.307 1.875 -6.245 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.982 0.999 -6.581 1.00 0.00 C ATOM 0 H VAL A 69 6.550 3.124 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 69 8.354 2.963 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 69 8.872 2.636 -7.626 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.669 1.099 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.940 2.758 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.339 1.508 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.393 0.240 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.939 0.606 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.977 1.265 -6.910 1.00 0.00 H new ATOM 1013 N GLY A 70 9.544 5.163 -4.662 1.00 0.00 N ATOM 1014 CA GLY A 70 10.367 6.341 -4.648 1.00 0.00 C ATOM 1015 C GLY A 70 9.572 7.606 -4.378 1.00 0.00 C ATOM 1016 O GLY A 70 9.924 8.677 -4.861 1.00 0.00 O ATOM 0 H GLY A 70 9.287 4.812 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.138 6.232 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.877 6.435 -5.607 1.00 0.00 H new ATOM 1020 N VAL A 71 8.482 7.491 -3.642 1.00 0.00 N ATOM 1021 CA VAL A 71 7.713 8.673 -3.285 1.00 0.00 C ATOM 1022 C VAL A 71 7.769 8.919 -1.786 1.00 0.00 C ATOM 1023 O VAL A 71 8.345 8.120 -1.034 1.00 0.00 O ATOM 1024 CB VAL A 71 6.232 8.598 -3.731 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.125 8.306 -5.221 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.442 7.598 -2.888 1.00 0.00 C ATOM 0 H VAL A 71 8.113 6.610 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 71 8.176 9.501 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 71 5.780 9.575 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.075 8.259 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.619 9.098 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.604 7.352 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.407 7.572 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.883 6.607 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.471 7.901 -1.841 1.00 0.00 H new ATOM 1036 N THR A 72 7.175 10.003 -1.373 1.00 0.00 N ATOM 1037 CA THR A 72 7.088 10.379 0.006 1.00 0.00 C ATOM 1038 C THR A 72 5.694 10.111 0.550 1.00 0.00 C ATOM 1039 O THR A 72 4.772 9.756 -0.211 1.00 0.00 O ATOM 1040 CB THR A 72 7.446 11.854 0.149 1.00 0.00 C ATOM 1041 OG1 THR A 72 7.066 12.535 -1.065 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.928 12.046 0.408 1.00 0.00 C ATOM 0 H THR A 72 6.726 10.666 -2.005 1.00 0.00 H new ATOM 0 HA THR A 72 7.791 9.781 0.585 1.00 0.00 H new ATOM 0 HB THR A 72 6.910 12.267 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.665 13.296 -1.214 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.146 13.110 0.504 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.206 11.534 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.499 11.633 -0.423 1.00 0.00 H new ATOM 1050 N GLN A 73 5.537 10.292 1.855 1.00 0.00 N ATOM 1051 CA GLN A 73 4.288 10.012 2.552 1.00 0.00 C ATOM 1052 C GLN A 73 3.147 10.844 1.984 1.00 0.00 C ATOM 1053 O GLN A 73 2.041 10.382 1.870 1.00 0.00 O ATOM 1054 CB GLN A 73 4.454 10.175 4.109 1.00 0.00 C ATOM 1055 CG GLN A 73 3.968 11.484 4.770 1.00 0.00 C ATOM 1056 CD GLN A 73 4.623 12.752 4.255 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.833 12.663 3.788 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 4.006 13.814 4.259 1.00 0.00 N flip ATOM 0 H GLN A 73 6.278 10.640 2.464 1.00 0.00 H new ATOM 0 HA GLN A 73 4.024 8.968 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.929 9.348 4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.512 10.058 4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.891 11.567 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.141 11.416 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.058 13.851 4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.442 14.659 3.889 1.00 0.00 H new ATOM 1067 N ASN A 74 3.475 12.032 1.556 1.00 0.00 N ATOM 1068 CA ASN A 74 2.526 12.973 0.979 1.00 0.00 C ATOM 1069 C ASN A 74 1.965 12.476 -0.343 1.00 0.00 C ATOM 1070 O ASN A 74 0.798 12.718 -0.658 1.00 0.00 O ATOM 1071 CB ASN A 74 3.179 14.351 0.834 1.00 0.00 C ATOM 1072 CG ASN A 74 4.633 14.238 0.423 1.00 0.00 C ATOM 1073 OD1 ASN A 74 5.519 14.182 1.273 1.00 0.00 O ATOM 1074 ND2 ASN A 74 4.902 14.169 -0.828 1.00 0.00 N ATOM 0 H ASN A 74 4.429 12.391 1.595 1.00 0.00 H new ATOM 0 HA ASN A 74 1.678 13.061 1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.635 14.936 0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.108 14.889 1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.869 14.065 -1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.150 14.218 -1.515 1.00 0.00 H new ATOM 1081 N PHE A 75 2.768 11.747 -1.096 1.00 0.00 N ATOM 1082 CA PHE A 75 2.301 11.193 -2.345 1.00 0.00 C ATOM 1083 C PHE A 75 1.479 9.967 -2.044 1.00 0.00 C ATOM 1084 O PHE A 75 0.351 9.827 -2.512 1.00 0.00 O ATOM 1085 CB PHE A 75 3.467 10.818 -3.263 1.00 0.00 C ATOM 1086 CG PHE A 75 3.045 10.363 -4.653 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.724 9.035 -4.908 1.00 0.00 C ATOM 1088 CD2 PHE A 75 2.983 11.264 -5.699 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.353 8.622 -6.169 1.00 0.00 C ATOM 1090 CE2 PHE A 75 2.607 10.855 -6.963 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.293 9.531 -7.196 1.00 0.00 C ATOM 0 H PHE A 75 3.737 11.528 -0.864 1.00 0.00 H new ATOM 0 HA PHE A 75 1.702 11.943 -2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.130 11.678 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.044 10.022 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.766 8.315 -4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.232 12.301 -5.526 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.110 7.585 -6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.559 11.571 -7.770 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.000 9.211 -8.185 1.00 0.00 H new ATOM 1101 N ALA A 76 2.037 9.096 -1.221 1.00 0.00 N ATOM 1102 CA ALA A 76 1.390 7.849 -0.872 1.00 0.00 C ATOM 1103 C ALA A 76 0.041 8.069 -0.185 1.00 0.00 C ATOM 1104 O ALA A 76 -0.936 7.428 -0.534 1.00 0.00 O ATOM 1105 CB ALA A 76 2.297 7.009 -0.020 1.00 0.00 C ATOM 0 H ALA A 76 2.946 9.234 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 76 1.187 7.315 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.796 6.075 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.213 6.792 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.541 7.550 0.894 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.019 9.019 0.747 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.264 9.330 1.464 1.00 0.00 C ATOM 1113 C ALA A 77 -2.320 9.846 0.509 1.00 0.00 C ATOM 1114 O ALA A 77 -3.504 9.776 0.785 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.022 10.347 2.571 1.00 0.00 C ATOM 0 H ALA A 77 0.779 9.590 1.027 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.622 8.406 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.961 10.557 3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.302 9.945 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.630 11.268 2.140 1.00 0.00 H new ATOM 1121 N THR A 78 -1.875 10.357 -0.608 1.00 0.00 N ATOM 1122 CA THR A 78 -2.744 10.832 -1.629 1.00 0.00 C ATOM 1123 C THR A 78 -3.265 9.668 -2.489 1.00 0.00 C ATOM 1124 O THR A 78 -4.470 9.586 -2.748 1.00 0.00 O ATOM 1125 CB THR A 78 -2.036 11.909 -2.477 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.756 13.047 -1.641 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.879 12.332 -3.666 1.00 0.00 C ATOM 0 H THR A 78 -0.884 10.452 -0.829 1.00 0.00 H new ATOM 0 HA THR A 78 -3.613 11.299 -1.164 1.00 0.00 H new ATOM 0 HB THR A 78 -1.109 11.490 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.859 12.958 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.346 13.091 -4.238 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.072 11.468 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.826 12.741 -3.314 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.381 8.761 -2.888 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.779 7.593 -3.681 1.00 0.00 C ATOM 1137 C VAL A 79 -3.736 6.739 -2.879 1.00 0.00 C ATOM 1138 O VAL A 79 -4.849 6.485 -3.304 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.574 6.715 -4.089 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.015 5.583 -5.011 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.513 7.555 -4.736 1.00 0.00 C ATOM 0 H VAL A 79 -1.384 8.807 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.249 7.971 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.153 6.266 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.150 4.979 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.746 4.959 -4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.465 6.001 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.329 6.923 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.921 8.035 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.175 8.318 -4.035 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.314 6.395 -1.671 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.081 5.552 -0.742 1.00 0.00 C ATOM 1153 C LEU A 80 -5.333 6.284 -0.181 1.00 0.00 C ATOM 1154 O LEU A 80 -6.003 5.808 0.742 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.184 5.060 0.427 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.116 3.953 0.140 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -2.757 2.699 -0.379 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.037 4.412 -0.823 1.00 0.00 C ATOM 0 H LEU A 80 -2.415 6.695 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.429 4.691 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.661 5.927 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.841 4.690 1.214 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.638 3.744 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.989 1.949 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.461 2.318 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.287 2.918 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.325 3.603 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.492 4.690 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.518 5.274 -0.404 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.591 7.448 -0.707 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.778 8.215 -0.398 1.00 0.00 C ATOM 1172 C ARG A 81 -7.679 8.194 -1.617 1.00 0.00 C ATOM 1173 O ARG A 81 -8.870 7.901 -1.542 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.383 9.658 -0.160 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.498 10.590 0.251 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.023 12.022 0.148 1.00 0.00 C ATOM 1177 NE ARG A 81 -7.970 12.974 0.735 1.00 0.00 N ATOM 1178 CZ ARG A 81 -7.652 14.196 1.185 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -6.413 14.670 1.041 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -8.576 14.945 1.775 1.00 0.00 N ATOM 0 H ARG A 81 -4.973 7.905 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.274 7.799 0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.614 9.681 0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.930 10.045 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.368 10.437 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.811 10.372 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.060 12.118 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.864 12.273 -0.901 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.945 12.685 0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.699 14.101 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.180 15.601 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.526 14.590 1.885 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.336 15.875 2.118 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.058 8.466 -2.747 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.735 8.665 -4.010 1.00 0.00 C ATOM 1196 C ASN A 82 -8.137 7.383 -4.701 1.00 0.00 C ATOM 1197 O ASN A 82 -8.874 7.417 -5.683 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.891 9.543 -4.931 1.00 0.00 C ATOM 1199 CG ASN A 82 -7.111 11.008 -4.671 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -7.971 11.643 -5.287 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -6.369 11.558 -3.760 1.00 0.00 N ATOM 0 H ASN A 82 -6.044 8.557 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.670 9.174 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.836 9.305 -4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.135 9.319 -5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.487 12.545 -3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.667 11.003 -3.270 1.00 0.00 H new ATOM 1208 N THR A 83 -7.649 6.263 -4.211 1.00 0.00 N ATOM 1209 CA THR A 83 -8.008 4.971 -4.756 1.00 0.00 C ATOM 1210 C THR A 83 -9.489 4.706 -4.583 1.00 0.00 C ATOM 1211 O THR A 83 -10.057 4.973 -3.504 1.00 0.00 O ATOM 1212 CB THR A 83 -7.245 3.879 -4.053 1.00 0.00 C ATOM 1213 OG1 THR A 83 -7.298 4.132 -2.647 1.00 0.00 O ATOM 1214 CG2 THR A 83 -5.812 3.825 -4.508 1.00 0.00 C ATOM 0 H THR A 83 -6.996 6.222 -3.428 1.00 0.00 H new ATOM 0 HA THR A 83 -7.760 4.979 -5.817 1.00 0.00 H new ATOM 0 HB THR A 83 -7.699 2.917 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.186 4.473 -2.409 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.292 3.026 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.778 3.633 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.326 4.777 -4.294 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.102 4.156 -5.597 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.528 3.945 -5.573 1.00 0.00 C ATOM 1224 C LYS A 84 -11.931 2.569 -5.968 1.00 0.00 C ATOM 1225 O LYS A 84 -11.499 2.059 -7.009 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.282 4.963 -6.413 1.00 0.00 C ATOM 1227 CG LYS A 84 -12.291 6.364 -5.847 1.00 0.00 C ATOM 1228 CD LYS A 84 -12.950 6.373 -4.482 1.00 0.00 C ATOM 1229 CE LYS A 84 -13.097 7.778 -3.952 1.00 0.00 C ATOM 1230 NZ LYS A 84 -13.768 7.830 -2.631 1.00 0.00 N ATOM 0 H LYS A 84 -9.638 3.845 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.806 4.082 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -11.840 4.991 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.312 4.626 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.271 6.739 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.826 7.033 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.931 5.902 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.357 5.780 -3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.111 8.235 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.666 8.373 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.114 8.795 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.570 7.168 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.091 7.564 -1.887 1.00 0.00 H new ATOM 1244 N GLY A 85 -12.809 2.027 -5.134 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.426 0.723 -5.219 1.00 0.00 C ATOM 1246 C GLY A 85 -12.490 -0.400 -5.444 1.00 0.00 C ATOM 1247 O GLY A 85 -12.165 -1.132 -4.545 1.00 0.00 O ATOM 0 H GLY A 85 -13.131 2.538 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.976 0.538 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.156 0.735 -6.029 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.013 -0.470 -6.600 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.210 -1.594 -7.041 1.00 0.00 C ATOM 1253 C ASN A 86 -9.776 -1.208 -7.037 1.00 0.00 C ATOM 1254 O ASN A 86 -9.296 -0.517 -7.935 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.644 -2.084 -8.411 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.063 -2.608 -8.407 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.015 -1.866 -8.648 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.225 -3.877 -8.118 1.00 0.00 N ATOM 0 H ASN A 86 -12.150 0.248 -7.311 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.357 -2.423 -6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.562 -1.269 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -10.968 -2.872 -8.744 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.163 -4.278 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.413 -4.463 -7.923 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.099 -1.613 -6.015 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.753 -1.187 -5.790 1.00 0.00 C ATOM 1267 C VAL A 87 -6.802 -2.334 -5.897 1.00 0.00 C ATOM 1268 O VAL A 87 -6.989 -3.334 -5.259 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.605 -0.598 -4.391 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.306 0.158 -4.276 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.804 0.251 -4.019 1.00 0.00 C ATOM 0 H VAL A 87 -9.463 -2.252 -5.308 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.524 -0.438 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.573 -1.415 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.214 0.573 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.473 -0.519 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.290 0.967 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.666 0.655 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.904 1.071 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.705 -0.362 -4.042 1.00 0.00 H new ATOM 1281 N ARG A 88 -5.795 -2.183 -6.694 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.771 -3.180 -6.810 1.00 0.00 C ATOM 1283 C ARG A 88 -3.581 -2.784 -6.001 1.00 0.00 C ATOM 1284 O ARG A 88 -2.798 -1.928 -6.404 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.413 -3.410 -8.260 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.466 -4.212 -8.978 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.385 -4.034 -10.462 1.00 0.00 C ATOM 1288 NE ARG A 88 -5.680 -2.644 -10.831 1.00 0.00 N ATOM 1289 CZ ARG A 88 -6.922 -2.113 -10.914 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -8.002 -2.887 -10.751 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -7.074 -0.815 -11.167 1.00 0.00 N ATOM 0 H ARG A 88 -5.655 -1.364 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.145 -4.125 -6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.285 -2.449 -8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.457 -3.930 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.350 -5.267 -8.732 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.454 -3.910 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.389 -4.306 -10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.090 -4.704 -10.953 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.890 -2.033 -11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.892 -3.883 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.935 -2.480 -10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.255 -0.222 -11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.010 -0.414 -11.230 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.498 -3.323 -4.828 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.387 -3.077 -3.966 1.00 0.00 C ATOM 1307 C PHE A 89 -1.330 -4.070 -4.289 1.00 0.00 C ATOM 1308 O PHE A 89 -1.436 -5.228 -3.904 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.737 -3.265 -2.492 1.00 0.00 C ATOM 1310 CG PHE A 89 -3.830 -2.418 -1.954 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -5.149 -2.814 -2.058 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -3.539 -1.237 -1.319 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -6.153 -2.039 -1.541 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -4.536 -0.460 -0.797 1.00 0.00 C ATOM 1315 CZ PHE A 89 -5.848 -0.860 -0.909 1.00 0.00 C ATOM 0 H PHE A 89 -4.202 -3.950 -4.439 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.070 -2.046 -4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.008 -4.309 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.840 -3.078 -1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.391 -3.744 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.511 -0.917 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.182 -2.355 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.294 0.466 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.637 -0.246 -0.500 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.360 -3.679 -5.019 1.00 0.00 N ATOM 1326 CA VAL A 90 0.712 -4.565 -5.275 1.00 0.00 C ATOM 1327 C VAL A 90 1.662 -4.415 -4.122 1.00 0.00 C ATOM 1328 O VAL A 90 2.376 -3.431 -4.017 1.00 0.00 O ATOM 1329 CB VAL A 90 1.424 -4.288 -6.612 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.562 -5.280 -6.843 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.437 -4.334 -7.768 1.00 0.00 C ATOM 0 H VAL A 90 -0.282 -2.758 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 90 0.333 -5.583 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 90 1.851 -3.286 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.048 -5.062 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.289 -5.194 -6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.162 -6.294 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.962 -4.136 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.024 -5.320 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.335 -3.579 -7.618 1.00 0.00 H new ATOM 1341 N ILE A 91 1.482 -5.270 -3.181 1.00 0.00 N ATOM 1342 CA ILE A 91 2.290 -5.377 -2.017 1.00 0.00 C ATOM 1343 C ILE A 91 3.030 -6.698 -2.088 1.00 0.00 C ATOM 1344 O ILE A 91 2.633 -7.593 -2.822 1.00 0.00 O ATOM 1345 CB ILE A 91 1.354 -5.293 -0.782 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.793 -3.880 -0.698 1.00 0.00 C ATOM 1347 CG2 ILE A 91 2.023 -5.709 0.535 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.286 -3.727 0.289 1.00 0.00 C ATOM 0 H ILE A 91 0.725 -5.953 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 91 3.027 -4.577 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 91 0.550 -6.016 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.601 -3.193 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.419 -3.589 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.305 -5.623 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.365 -6.741 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.875 -5.058 0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.634 -2.694 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.113 -4.388 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.088 -3.985 1.280 1.00 0.00 H new ATOM 1360 N GLY A 92 4.103 -6.816 -1.386 1.00 0.00 N ATOM 1361 CA GLY A 92 4.829 -8.017 -1.452 1.00 0.00 C ATOM 1362 C GLY A 92 4.970 -8.672 -0.107 1.00 0.00 C ATOM 1363 O GLY A 92 4.670 -8.057 0.928 1.00 0.00 O ATOM 0 H GLY A 92 4.487 -6.100 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.331 -8.703 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.819 -7.819 -1.863 1.00 0.00 H new ATOM 1367 N ARG A 93 5.400 -9.902 -0.116 1.00 0.00 N ATOM 1368 CA ARG A 93 5.654 -10.650 1.097 1.00 0.00 C ATOM 1369 C ARG A 93 7.143 -10.898 1.159 1.00 0.00 C ATOM 1370 O ARG A 93 7.744 -11.324 0.160 1.00 0.00 O ATOM 1371 CB ARG A 93 4.847 -11.980 1.078 1.00 0.00 C ATOM 1372 CG ARG A 93 4.744 -12.795 2.391 1.00 0.00 C ATOM 1373 CD ARG A 93 6.038 -13.467 2.848 1.00 0.00 C ATOM 1374 NE ARG A 93 5.807 -14.276 4.061 1.00 0.00 N ATOM 1375 CZ ARG A 93 6.752 -14.820 4.846 1.00 0.00 C ATOM 1376 NH1 ARG A 93 8.035 -14.617 4.609 1.00 0.00 N ATOM 1377 NH2 ARG A 93 6.396 -15.561 5.887 1.00 0.00 N ATOM 0 H ARG A 93 5.588 -10.425 -0.971 1.00 0.00 H new ATOM 0 HA ARG A 93 5.335 -10.100 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.834 -11.749 0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.289 -12.626 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.399 -12.132 3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.981 -13.563 2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.425 -14.101 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.795 -12.709 3.049 1.00 0.00 H new ATOM 0 HE ARG A 93 4.836 -14.438 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.323 -14.039 3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.739 -15.038 5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.408 -15.716 6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.110 -15.976 6.486 1.00 0.00 H new ATOM 1391 N GLU A 94 7.729 -10.565 2.273 1.00 0.00 N ATOM 1392 CA GLU A 94 9.135 -10.775 2.496 1.00 0.00 C ATOM 1393 C GLU A 94 9.290 -11.982 3.389 1.00 0.00 C ATOM 1394 O GLU A 94 9.447 -13.110 2.876 1.00 0.00 O ATOM 1395 CB GLU A 94 9.765 -9.555 3.172 1.00 0.00 C ATOM 1396 CG GLU A 94 9.667 -8.268 2.379 1.00 0.00 C ATOM 1397 CD GLU A 94 10.288 -7.115 3.117 1.00 0.00 C ATOM 1398 OE1 GLU A 94 11.524 -6.930 3.035 1.00 0.00 O ATOM 1399 OE2 GLU A 94 9.568 -6.386 3.824 1.00 0.00 O ATOM 0 H GLU A 94 7.242 -10.136 3.060 1.00 0.00 H new ATOM 0 HA GLU A 94 9.638 -10.931 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.287 -9.406 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.817 -9.767 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.163 -8.394 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.620 -8.047 2.172 1.00 0.00 H new